[gmx-users] Fwd: fixed "3.3.3"?

David Mobley dmobley at gmail.com
Mon Jul 27 23:32:47 CEST 2009


Is there any chance of getting an "official" patch released for 3.3.3  
that fixes the mdrun bug I have pointed out in the past, or perhaps an  
official, super-minor point release? I can provide the patch -- I'd  
just like it posted somewhere official.

The reason for this is that I'm trying to get some supercomputing  
folks to install the software system-wide, and they are reluctant to  
do it for my own "custom code" but I can probably get them to do it if  
it's an "official" patch.

I realize the developers are probably less than enthusiastic about  
doing anything further with 3.3.x. But I've got some free energy  
projects going in my own group and with some others that use tools  
that work only with 3.3.x, not 4.0.x. Additionally, we are reluctant  
to switch to 4.0.x without doing a lot of testing of the free energy  
components (which is yet another reason why we need a patched 3.3.x to  
compare to), given the number of times we were burned by free energy  
bugs in 3.3.x.

Thanks for your help.

David Mobley, Ph.D.
Assistant Professor of Chemistry
University of New Orleans
New Orleans, LA 70148
dlmobley at uno.edu
Office 504-280-6445
Fax 504-280-6860

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